2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

C17H26N4OS — CID 29085910

IUPAC2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1cc(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)c(C)s1
InChIInChI=1S/C17H26N4OS/c1-12-9-14(13(2)23-12)10-20-7-5-15(6-8-20)21-11-16(18-19-21)17(3,4)22/h9,11,15,22H,5-8,10H2,1-4H3
InChIKeyYCBPSNDMDQHIFL-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.02
Rot. Bonds4

About 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol

2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (PubChem CID 29085910) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
PubChem CID29085910
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol
SMILESCc1cc(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)c(C)s1
InChIInChI=1S/C17H26N4OS/c1-12-9-14(13(2)23-12)10-20-7-5-15(6-8-20)21-11-16(18-19-21)17(3,4)22/h9,11,15,22H,5-8,10H2,1-4H3
InChIKeyYCBPSNDMDQHIFL-UHFFFAOYSA-N
XLogP3.02
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol with MolForge

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Related Compounds

1-[(1-{1-[(5-methyl-2-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)methyl]-4-piperidinol bis(trifluoroacetate) (salt)
CID 28766546
(1-{1-[(3-methyl-2-thienyl)methyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)(phenyl)methanol
CID 45222910
1-[1-[1-[[5-[4-(Trifluoromethyl)phenyl]thiophen-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
CID 139000723
1-[1-[1-[[5-(2-Fluorophenyl)thiophen-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
CID 139000724
2-[1-[1-[(2,5-Dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 154885739
1-[1-[[1-[(5-Ethylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154886114
1-[1-[1-[(5-Phenylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]ethanol;2,2,2-trifluoroacetic acid
CID 154889329
[1-[1-[(5-Phenylthiophen-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154924519
(S)-cyclopropyl-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]methanol
CID 167862096
2-Methyl-1-[1-[[3-methyl-5-(trifluoromethyl)thiophen-2-yl]methyl]triazol-4-yl]propan-2-ol
CID 167894553
1-[1-[(1S)-1-(4-fluorophenyl)propyl]triazol-4-yl]-2-thiophen-2-ylpropan-2-ol
CID 167898065
1-(1-{[1-(3-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)cyclopentanol
CID 31259773

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol (CID 29085910) is 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is Cc1cc(CN2CCC(n3cc(C(C)(C)O)nn3)CC2)c(C)s1.
What is the InChIKey of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
The InChIKey is YCBPSNDMDQHIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-12-9-14(13(2)23-12)10-20-7-5-15(6-8-20)21-11-16(18-19-21)17(3,4)22/h9,11,15,22H,5-8,10H2,1-4H3.
What are the key properties of 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol?
2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol has a molecular weight of 334.49 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(2,5-dimethylthiophen-3-yl)methyl]piperidin-4-yl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 29085910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).